6-[2-[4-bromanyl-2-(2-phenylpyrazol-3-yl)phenoxy]ethanoyl]-4-methyl-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[4-bromanyl-2-(2-phenylpyrazol-3-yl)phenoxy]ethanoyl]-4-methyl-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetyl]-4-methyl-1,4-benzoxazin-3-one CAS Name: 6-[2-[4-bromo-2-(2-phenyl-3-pyrazolyl)phenoxy]-1-oxoethyl]-4-methyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetyl]-4-methyl-1,4-benzoxazin-3-one Traditional Name: 6-[2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetyl]-4-methyl-1,4-benzoxazin-3-one Formula: C26H20BrN3O4 MolecularWeight: 518.3587

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)C(=O)COC3=C(C=C(C=C3)Br)C4=CC=NN4C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)C(=O)COC3=C(C=C(C=C3)Br)C4=CC=NN4C5=CC=CC=C5

InChI

InChI=1S/C26H20BrN3O4/c1-29-22-13-17(7-9-25(22)34-16-26(29)32)23(31)15-33-24-10-8-18(27)14-20(24)21-11-12-28-30(21)19-5-3-2-4-6-19/h2-14H,15-16H2,1H3